7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol

C20H17Cl2N3O4 — CID 70795228

IUPAC7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol
SMILESOc1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1O[C@@H]1COC2CCOC21
InChIInChI=1S/C20H17Cl2N3O4/c21-10-1-2-13(12(22)5-10)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1
InChIKeyYIQPUONRKWUDDT-CUYAVPTFSA-N
MW434.28 g/mol
LogP4.32
Rot. Bonds4

About 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol

7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol (PubChem CID 70795228) has the molecular formula C20H17Cl2N3O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol.

Molecular Properties

Compound Name7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol
PubChem CID70795228
Molecular FormulaC20H17Cl2N3O4
Molecular Weight434.28 g/mol
Exact Mass433.06
IUPAC Name7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol
SMILESOc1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1O[C@@H]1COC2CCOC21
InChIInChI=1S/C20H17Cl2N3O4/c21-10-1-2-13(12(22)5-10)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1
InChIKeyYIQPUONRKWUDDT-CUYAVPTFSA-N
XLogP4.32
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol?
The IUPAC name of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol (CID 70795228) is 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol.
What is the SMILES notation for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol?
The canonical SMILES for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol is Oc1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1O[C@@H]1COC2CCOC21.
What is the InChIKey of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol?
The InChIKey is YIQPUONRKWUDDT-CUYAVPTFSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4/c21-10-1-2-13(12(22)5-10)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1.
What are the key properties of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol?
7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol has a molecular weight of 434.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol is sourced from PubChem (CID 70795228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).